%chk=000188704.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000188704

0 1
Cl -9.533876 2.633444 0.408549
O 3.664391 0.594378 -0.000369
O 3.100440 -1.518263 0.318888
O 7.610623 -0.351670 -0.192227
O 5.815744 -2.021583 1.506182
O 6.819742 2.478734 0.031670
O 3.483505 3.799360 -0.115740
O 3.923960 2.719489 -2.037642
O 1.665090 -1.266458 2.055501
O -3.802524 -0.338580 -1.362313
N -3.366270 -0.403941 0.904934
C 6.467919 0.097413 0.540561
C 5.417530 -1.041161 0.554751
C 5.998899 1.352562 -0.228738
C 3.992389 -0.531198 0.847776
C 4.541355 1.721164 0.155144
C 3.969119 2.736310 -0.837935
C 1.094455 -2.715693 0.112830
C 1.890463 -1.755769 0.981661
C -0.204492 -2.061687 -0.306154
C 0.855441 -4.007468 0.895477
C -1.078110 -1.555605 0.663030
C -0.509719 -1.997515 -1.687078
C -2.274814 -0.992021 0.216417
C -2.561213 -0.944170 -1.186008
C -1.696670 -1.436878 -2.157365
C -4.233328 -0.034197 -0.022216
C -5.530965 0.618238 0.072992
C -6.270197 0.905096 -1.089552
C -6.037898 0.959848 1.341035
C -7.512894 1.530530 -0.988550
C -7.280888 1.585740 1.447403
C -7.998672 1.860951 0.280367
H 6.790833 0.351492 1.575561
H 5.436612 -1.612097 -0.412545
H 6.119245 1.203361 -1.336006
H 3.766653 -0.292155 1.906289
H 4.467123 2.113730 1.197042
H 7.928426 -1.212641 0.175012
H 5.717879 -1.700794 2.428695
H 7.011795 2.588717 0.986696
H 1.711616 -2.954544 -0.800241
H 1.795231 -4.529139 1.115697
H 0.343662 -3.823042 1.850641
H 0.222164 -4.697357 0.320821
H -0.836993 -1.581200 1.728816
H 0.206417 -2.394258 -2.409531
H 3.094865 4.513891 -0.692428
H -1.934015 -1.381858 -3.216554
H -5.866067 0.636210 -2.069520
H -5.454757 0.733556 2.239677
H -8.094747 1.757991 -1.882484
H -7.683879 1.855235 2.424581


%chk=000188704-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000188704

0 1
Cl -9.568346 2.303284 1.688109
O 4.167232 0.537635 -0.964927
O 2.820682 -1.132983 -0.334907
O 6.779454 0.336577 2.318933
O 4.117409 -0.624739 2.632256
O 7.047131 2.462459 0.394940
O 5.063623 3.318891 -2.508887
O 6.330178 1.395989 -2.843946
O 1.997146 -1.956722 1.691583
O -3.865493 -0.187216 -1.251263
N -3.325904 -0.737386 0.941895
C 5.649497 0.756169 1.490746
C 4.654220 -0.404305 1.295484
C 6.234569 1.269273 0.173983
C 3.578111 0.009539 0.254847
C 5.069167 1.691242 -0.739645
C 5.571192 2.077746 -2.130182
C 1.136396 -2.833419 -0.458691
C 2.011813 -1.953076 0.431651
C -0.197404 -2.105055 -0.705617
C 0.946102 -4.232608 0.174182
C -1.061013 -1.806595 0.376826
C -0.553046 -1.745091 -2.039733
C -2.276479 -1.157622 0.086624
C -2.605065 -0.820367 -1.258630
C -1.771782 -1.095468 -2.346742
C -4.232711 -0.179669 0.145829
C -5.514245 0.420864 0.494719
C -6.365648 0.972442 -0.500680
C -5.914621 0.451856 1.859308
C -7.600976 1.547116 -0.141093
C -7.146917 1.024108 2.226285
C -7.973519 1.563738 1.218312
H 5.101529 1.585770 1.990018
H 5.186329 -1.298419 0.905755
H 6.820754 0.467890 -0.320042
H 2.843156 0.712703 0.706678
H 4.522556 2.543081 -0.291106
H 6.409070 -0.032865 3.161986
H 3.304717 -1.213599 2.562586
H 7.721890 2.236018 1.085888
H 1.660827 -2.926764 -1.425250
H 1.913930 -4.755117 0.275720
H 0.493833 -4.155455 1.176840
H 0.284282 -4.842330 -0.464108
H -0.797440 -2.059932 1.408131
H 0.143297 -1.974949 -2.853513
H 5.420255 3.567010 -3.405358
H -2.037992 -0.824493 -3.371206
H -6.058097 0.949306 -1.550034
H -5.250684 0.024531 2.616885
H -8.261244 1.973869 -0.901133
H -7.461125 1.051641 3.273192


